(5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione

C15H11N3O2 — CID 2290403

IUPAC(5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione
SMILESC#CCn1cc(/C=C2\NC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C15H11N3O2/c1-2-7-18-9-10(11-5-3-4-6-13(11)18)8-12-14(19)17-15(20)16-12/h1,3-6,8-9H,7H2,(H2,16,17,19,20)/b12-8-
InChIKeyABWWVCOQLCWCIQ-WQLSENKSSA-N
MW265.27 g/mol
LogP1.45
Rot. Bonds2

About (5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione

(5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 2290403) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is (5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione
PubChem CID2290403
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name(5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione
SMILESC#CCn1cc(/C=C2\NC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C15H11N3O2/c1-2-7-18-9-10(11-5-3-4-6-13(11)18)8-12-14(19)17-15(20)16-12/h1,3-6,8-9H,7H2,(H2,16,17,19,20)/b12-8-
InChIKeyABWWVCOQLCWCIQ-WQLSENKSSA-N
XLogP1.45
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione (CID 2290403) is (5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione is C#CCn1cc(/C=C2\NC(=O)NC2=O)c2ccccc21.
What is the InChIKey of (5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is ABWWVCOQLCWCIQ-WQLSENKSSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-2-7-18-9-10(11-5-3-4-6-13(11)18)8-12-14(19)17-15(20)16-12/h1,3-6,8-9H,7H2,(H2,16,17,19,20)/b12-8-.
What are the key properties of (5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 265.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(1-prop-2-ynylindol-3-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 2290403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).